HMDB0299717 RDKit 3D DG(i-18:0/0:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)) 121120 0 0 0 0 0 0 0 0999 V2000 16.1867 -4.4828 1.8426 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9637 -3.5681 1.6364 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4294 -3.6835 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3461 -2.6972 -0.5644 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7608 -1.3382 -0.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8522 -0.2232 -0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5719 -0.1947 -0.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6863 -1.3350 -0.6925 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6614 -1.2641 0.4932 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3742 -1.3534 1.6862 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9986 0.0486 0.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9967 0.2780 -0.3848 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3285 1.5684 -0.4137 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3433 1.8260 -1.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7860 0.9267 -2.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4137 0.4806 -2.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4624 0.7103 -1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6157 1.5287 -0.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7065 2.6982 -0.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7816 2.9351 0.6497 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5283 2.1128 1.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0782 1.6147 1.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8479 0.8133 0.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0642 -0.4255 0.5559 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4013 1.3350 -0.7052 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2018 0.5002 -1.8169 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8781 -0.5472 -1.6270 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8428 -1.3007 -2.8347 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2424 0.0835 -1.5064 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4481 0.8199 -0.3464 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4378 0.3618 0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2189 -0.8723 1.1319 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6705 1.2546 2.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9540 2.6579 1.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0991 2.9758 0.8841 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4902 2.7135 1.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8783 1.3117 1.5134 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3812 1.2422 1.8534 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2366 1.7732 0.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0054 0.9662 -0.4995 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8269 1.4410 -1.6372 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2787 1.4734 -1.4751 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0986 0.2856 -1.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9266 -0.4919 0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8965 -1.6748 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2943 -1.1846 0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2998 -2.3406 0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1169 -3.1284 1.3467 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2980 -3.1775 -1.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9285 -4.2623 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8827 -5.5455 1.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6227 -4.2043 2.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1845 -4.0563 2.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2461 -2.6010 2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0758 -4.6709 -0.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9456 -2.9601 -1.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4022 -1.3221 0.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6144 -1.1077 -1.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3906 0.7918 -0.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1045 0.8450 -0.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0555 -2.3327 -0.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0501 -1.2420 -1.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9763 -2.1274 0.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4125 -2.2507 2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2605 0.8677 1.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7446 -0.5540 -1.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6838 2.3271 0.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9494 2.8557 -1.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4389 -0.0186 -2.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0032 1.3626 -3.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1252 -0.1906 -3.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4457 0.2490 -1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2107 0.8171 0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5673 1.8559 0.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8171 3.3956 -1.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1552 3.8483 0.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1320 1.2567 2.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4973 2.7702 2.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3978 2.4889 1.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8329 1.0286 2.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -0.0443 -2.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0666 1.1218 -2.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6743 -1.2118 -0.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6384 -0.7079 -3.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0340 -0.6982 -1.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3479 0.7757 -2.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3072 0.7922 2.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6189 1.2994 2.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0282 3.3031 2.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0085 3.0515 1.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9805 2.5187 -0.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0623 4.1140 0.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7043 3.2748 2.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1453 3.1585 0.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4007 0.9582 2.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6769 0.5987 0.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6091 0.1762 1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5701 1.7985 2.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1323 2.8651 0.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2949 1.6168 1.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9069 1.1925 -0.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9603 -0.0840 -0.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5295 0.8976 -2.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4239 2.4928 -1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6911 1.9285 -2.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5970 2.3123 -0.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0431 -0.4289 -2.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1798 0.6433 -1.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9137 -0.8376 0.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2287 0.1375 0.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6562 -2.3997 -0.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6534 -2.2073 0.9923 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5906 -0.5557 -0.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4727 -0.6019 0.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3022 -1.8341 0.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1595 -3.6546 1.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2525 -2.4019 2.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9837 -3.8216 1.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3379 -3.2440 -1.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0714 -2.8412 -1.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5916 -4.2202 -0.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 15 69 1 0 15 70 1 0 16 71 1 0 17 72 1 0 18 73 1 0 18 74 1 0 19 75 1 0 20 76 1 0 21 77 1 0 21 78 1 0 22 79 1 0 22 80 1 0 26 81 1 0 26 82 1 0 27 83 1 1 28 84 1 0 29 85 1 0 29 86 1 0 33 87 1 0 33 88 1 0 34 89 1 0 34 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 48116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 49121 1 0 M END